Bi12Cs4Se20
Bi12Cs4Se20 is a stable semiconducting bismuth-cesium-selenide compound investigated for its potential role in photovoltaic and optoelectronic device architectures.
About Bi12Cs4Se20
Bi12Cs4Se20 is a semiconducting material that occupies a stable position on the convex hull, indicating robust thermodynamic characteristics. As a member of the broader perovskite-related family, its electronic structure makes it a compelling subject for investigation in advanced optoelectronic applications.
This compound represents an intriguing alternative to traditional lead-based systems. Its structural configuration provides a distinct pathway for exploring charge transport and light absorption, which are essential for developing next-generation energy conversion technologies.
Key Properties
Cross-validated computational properties for Bi12Cs4Se20, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Bi12Cs4Se20, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.46 | 0.0000 | -30.918 | 6.41 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.62 |
Applications
Where Bi12Cs4Se20 is used.
Frequently Asked Questions
Common questions about Bi12Cs4Se20, answered from cross-validated data.
What is Bi12Cs4Se20?
Bi12Cs4Se20 is a stable semiconducting bismuth-cesium-selenide compound investigated for its potential role in photovoltaic and optoelectronic device architectures.
What is Bi12Cs4Se20 used for?
What is the band gap of Bi12Cs4Se20?
Is Bi12Cs4Se20 a metal, semiconductor, or insulator?
Is Bi12Cs4Se20 thermodynamically stable?
What is the crystal structure of Bi12Cs4Se20?
What is the density of Bi12Cs4Se20?
How many polymorphs of Bi12Cs4Se20 are known?
What elements does Bi12Cs4Se20 contain?
Where does the data for Bi12Cs4Se20 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the widely studied lead-based halide perovskites such as CsPbBr3 or CsSnI3, Bi12Cs4Se20 incorporates bismuth and selenium to potentially bypass the toxicity and stability limitations inherent in conventional halogen-based perovskite structures.
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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